methyl 3-methylsulfonyl-8,9-dihydro-7H-benzo[7]annulene-6-carboxylate

Systemtic Name: methyl 3-methylsulfonyl-8,9-dihydro-7H-benzo[7]annulene-6-carboxylate Openeye Name: methyl 3-methylsulfonyl-8,9-dihydro-7H-benzo[7]annulene-6-carboxylate CAS Name: 3-methylsulfonyl-8,9-dihydro-7H-benzo[7]annulene-6-carboxylic acid methyl ester IUPAC Name: methyl 3-methylsulfonyl-8,9-dihydro-7H-benzo[7]annulene-6-carboxylate Traditional Name: 3-mesyl-8,9-dihydro-7H-benzocycloheptene-6-carboxylic acid methyl ester Formula: C14H16O4S MolecularWeight: 280.33944

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(CCC1)C=CC(=C2)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC2=C(CCC1)C=CC(=C2)S(=O)(=O)C

InChI

InChI=1S/C14H16O4S/c1-18-14(15)11-5-3-4-10-6-7-13(19(2,16)17)9-12(10)8-11/h6-9H,3-5H2,1-2H3